Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111411
Title: Investigation of the Degree of Local Structural Similarity between the Parent-liquid and Children-crystal States for a Model Soft Matter System
Authors: Levashov, V. A.
Ryltsev, R. E.
Chtchelkatchev, N. M.
Issue Date: 2022
Publisher: Elsevier B.V.
Elsevier BV
Citation: Levashov V. A. Investigation of the Degree of Local Structural Similarity between the Parent-liquid and Children-crystal States for a Model Soft Matter System / V. A. Levashov, R. E. Ryltsev, N. M. Chtchelkatchev // Physica A: Statistical Mechanics and its Applications. — 2022. — Vol. 585. — 126387.
Abstract: We investigate the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft-matter system of particles interacting through the harmonic-repulsive pair potential. At different pressures, this simple system crystallizes into several significantly different crystal structures. Therefore, the model is well suited for addressing the question under consideration. In our studies, we carefully analyze the developments of the pair and triple correlation functions for the parent-liquid as the pressure increases. In particular, these considerations allow us to address the similarities in the orientational orderings of the corresponding liquid and solid phases. It is demonstrated that the similarities in the orientational ordering between the two states extend beyond the first and second neighbors. Currently, it is widely accepted that orientational ordering is important for understanding the behaviors of liquids, supercooled liquids, and the development of detailed theories of the crystallization process. Our results suggest that, up to a certain degree, it might be possible to predict the structures of the children-solids from studies of the parent-liquids. Our results raise anew a general question of how much insight into the properties of the liquid-state can be gained from drawing a parallel with the solid-state. © 2021 Elsevier B.V.
Keywords: CRYSTALLIZATION
CRYSTALS
LIQUIDS
ORIENTATIONAL ORDERING
SOFT-MATTER
STRUCTURE
CRYSTAL STRUCTURE
CRYSTALS
LIQUIDS
CRYSTAL STATE
CRYSTALS STRUCTURES
DIFFERENT PRESSURES
ORIENTATIONAL ORDERS
PAIR CORRELATION FUNCTIONS
PAIR POTENTIAL
SIMPLE SYSTEM
SOFT MATTER
STRUCTURAL SIMILARITY
TRIPLE CORRELATION FUNCTIONS
SUPERCOOLING
URI: http://hdl.handle.net/10995/111411
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85114945498
PURE ID: 23892459
ISSN: 0378-4371
metadata.dc.description.sponsorship: This document is the results of the research project funded by the Russian Science Foundation (RNF-grant 18-12-00438).This work was supported by the Russian Science Foundation (grant 18-12-00438). We gratefully acknowledge access to the following computational resources: Supercomputing Center of Novosibirsk State University (http://nusc.nsu.ru), the federal collective usage center "Complex for Simulation and Data Processing for Mega-science Facilities" at NRC "Kurchatov Institute" (http://ckp.nrcki.ru/), supercomputers at Joint Supercomputer Center of Russian Academy of Sciences (http://www.jscc.ru), and ?Uran? supercomputer of IMM UB RAS (http://parallel.uran.ru).
RSCF project card: 18-12-00438
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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